SCHEMBL5453379

SCHEMBL5453379

Cc1ccc(-c2ccc(-c3cn4nc(N)cc(N)c4n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
SMN1; SMN2 Q16637 10/20 0.48
MAPT P10636 8/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 7/20 0.48
TP53 P04637 6/20 0.48
GAA P10253 4/20 0.48
MITF O75030 2/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4709566 0.98 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4757862 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL4760686 0.83 KDM4E (0.60) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL14686276 0.72 POLB (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL22077108 0.71 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL22158562 0.71 TLR8 (0.51) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6811214 0.68 MAPT (0.68) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL12637216 0.68 RAB9A (0.37) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2540334 0.67 APP (0.42) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL24539403 0.65 LRRK2 (0.43) NPC1RAB9ASMN1; SMN2MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 NPC1 4484/4885RAB9A 1848/4885SMN1; SMN2 3786/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.